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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11941 124136 1 N3O6C14H17 A3B6C14D17 -177.48 3.27 -9.52 -0.73 0
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11942 124137 1 Cl2N2O6C19H20 A2B2C6D19E20 -235.92 3.54 -8.55 -0.27 0
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11943 124149 1 O7C53H92 A7B53C92 -446.03 1.55 -9.26 0.6 0
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11944 124179 1 O3C28H52 A3B28C52 -229.18 2.94 -9.83 0.03 0
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11945 124180 1 NO4H7C15 AB4C7D15 -24.33 5.46 -9.67 -2.04 0
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11946 124182 1 Cl2N2O4C21H28 A2B2C4D21E28 -186.88 4.92 -9.18 -0.67 0
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11947 124185 1 ON2C9H20 AB2C9D20 -48.8 2.53 -9.07 1.89 0
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11948 124187 1 O2N6C7H8 A2B6C7D8 1.59 13.15 -9.16 -1.34 0
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11949 124188 2 OC40H54 AB40C54 9.1 6.78 -8.0 -0.43 0
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11950 124189 1 NSO3C6H13 ABC3D6E13 -146.04 2.99 -9.14 0.14 0
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11951 124193 1 ClNO4C22H22 ABC4D22E22 -89.67 7.04 -8.55 -1.19 0
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11952 124194 1 SN3O3H21C22 AB3C3D21E22 -30.24 7.37 -7.97 -1.02 0
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11953 124208 1 O2N3C16H17 A2B3C16D17 -36.71 3.48 -8.59 -0.2 0
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11954 124228 1 ON3H9C10 AB3C9D10 50.06 7.07 -9.76 -1.22 0
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11955 124231 1 OSN5C19H23 ABC5D19E23 54.82 9.36 -8.28 -1.59 0
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11956 124234 1 S2N3O4C13H20 A2B3C4D13E20 -169.55 2.1 0.0 0.0 0
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11957 124237 2 FNC2H5 ABC2D5 -114.64 1.87 -9.47 2.33 0
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11958 124243 1 N4O5C10H12 A4B5C10D12 -182.78 8.35 -9.54 -0.51 0
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11959 124245 2 O2C3H4 A2B3C4 -151.78 6.17 -8.86 -0.31 0
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11960 124290 1 NSeO2H13C14 ABC2D13E14 6.63 6.76 -8.41 -0.95 0
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11961 124291 1 O12N16C57H80 A12B16C57D80 -473.75 15.12 -8.9 -0.89 0
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11962 124310 2 NO2C3H7 AB2C3D7 -172.87 2.05 -9.71 0.1 0
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11963 124342 1 O2C27H44 A2B27C44 -125.4 1.46 -8.82 0.6 0
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11964 124387 1 NSO6C20H39 ABC6D20E39 -322.41 7.7 -9.79 -0.06 0
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11965 124400 2 NO4C7H8 AB4C7D8 -301.0 2.91 -9.78 -1.02 0
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11966 124408 1 ClN2O2C23H43 AB2C2D23E43 -35.75 53.71 -5.17 -3.79 0
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11967 124410 1 ON5C7H7 AB5C7D7 31.19 5.54 -9.15 -0.46 0
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11968 124413 2 ON3H11C12 AB3C11D12 64.46 4.4 -8.3 -1.24 0
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11969 124427 1 N6O8H22C27 A6B8C22D27 -157.72 9.46 -8.36 -1.49 0
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11970 124626 1 SN4O5C16H20 AB4C5D16E20 -188.27 9.75 -7.88 -0.82 0
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11971 124690 1 N2O13C20H28 A2B13C20D28 -478.67 6.36 -10.38 -1.52 0
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11972 124754 1 N3P3C10O14H18 A3B3C10D14E18 -751.75 4.33 -9.87 -1.03 0
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11973 124762 1 IO3C25H25 AB3C25D25 -81.06 1.99 -8.94 -1.23 0
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11974 124779 1 N2C5H12 A2B5C12 32.8 4.02 -9.45 1.96 0
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11975 125402 1 N2O3C7H14 A2B3C7D14 -53.55 3.91 -9.22 -0.98 0
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11976 125451 1 O5C30H46 A5B30C46 -276.61 8.19 -9.61 0.5 0
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11977 125452 2 OC8H9 AB8C9 -65.61 3.77 -8.45 0.4 0
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11978 125470 2 N2O3C7H8 A2B3C7D8 -123.63 5.85 -8.57 -1.08 0
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11979 125471 1 O3N5C7H13 A3B5C7D13 -96.82 10.27 -9.04 -0.48 0
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11980 125474 1 O3C20H34 A3B20C34 -153.93 6.07 -9.37 0.15 0
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11981 125479 1 OCl2H18C22 AB2C18D22 36.26 3.62 -8.85 -0.01 0
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11982 125484 2 ON2H5C6 AB2C5D6 -35.82 4.81 -9.02 -0.83 0
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11983 125488 1 NSF2H3O5C6 ABC2D3E5F6 -193.28 4.42 -11.79 -2.21 0
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11984 125505 1 IN4O4C13H16 AB4C4D13E16 -84.54 6.97 0.0 0.0 1
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11985 125506 1 O4C7H8 A4B7C8 -161.18 0.47 -10.1 -0.37 0
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11986 125548 1 O4C17H18 A4B17C18 -106.64 6.45 -8.76 -0.49 0
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11987 125570 1 ClNC14H18 ABC14D18 136.44 1.53 -8.32 -0.01 0
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11988 125690 1 FOC20H29 ABC20D29 -82.39 1.86 -8.61 -0.03 0
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11989 125706 4 ON2C17H19 AB2C17D19 36.94 3.88 -8.31 -1.53 0
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11990 125707 2 NC6H8 AB6C8 22.37 2.88 -8.3 0.14 0
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11991 125708 2 BrNOC5H5 ABCD5E5 -32.12 6.64 -9.29 -1.66 0
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11992 125709 2 SN5O5C27H30 AB5C5D27E30 -324.76 7.99 -8.38 -1.23 0
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11993 125718 1 Br2N3C31H69 A2B3C31D69 -124.78 13.35 -7.59 -0.62 0
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11994 125731 1 PN3O10C49H89 AB3C10D49E89 -557.1 5.2 0.0 0.0 1
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11995 125736 1 O5C20H34 A5B20C34 -247.0 2.0 -9.82 0.53 0
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11996 125746 1 BN2O7C9H13 AB2C7D9E13 -369.59 7.37 -10.18 -0.81 0
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11997 125747 1 OC10H12 AB10C12 0.24 2.4 -9.52 0.16 0
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11998 125748 1 N3O5C12H15 A3B5C12D15 -179.49 4.65 -9.55 -0.77 0
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11999 125749 3 O3H4C6 A3B4C6 -261.73 3.24 -9.03 -1.8 0
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12000 125750 1 NPO10C42H78 ABC10D42E78 -619.88 6.3 -9.81 -0.21 0
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12001 125751 2 NOC4H8 ABC4D8 -48.74 3.42 -9.28 0.1 0
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12002 125781 1 NaSO6H17C19 ABC6D17E19 -246.14 13.47 -9.41 -2.0 0
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12003 125788 1 O3C24H40 A3B24C40 -163.77 2.59 -9.27 0.34 0
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12004 125793 1 O5H10C12 A5B10C12 -150.07 10.47 -9.31 -1.46 0
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12005 125818 1 NSO10C24H47 ABC10D24E47 -477.94 1.46 -9.67 -1.25 0
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12006 125862 1 ON6C20H30 AB6C20D30 24.2 2.71 -8.46 0.33 0
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12007 125863 1 SN4O10C18H22 AB4C10D18E22 -339.49 6.51 -10.2 -1.71 0
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12008 125866 1 NO3C21H35 AB3C21D35 -180.63 7.65 -9.47 0.9 0
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12009 125867 1 N2P3C12O14H21 A2B3C12D14E21 -800.63 7.15 -9.56 -0.69 0
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12010 125868 1 N3O4C6H9 A3B4C6D9 -137.99 2.19 -10.64 -1.15 0
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12011 125869 1 NP2C9O10H21 AB2C9D10E21 -585.51 3.46 -9.66 -0.05 0
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12012 125939 1 N4O8C45H70 A4B8C45D70 -136.97 9.72 -9.26 -1.02 0
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12013 125975 1 CoN8H32C44 AB8C32D44 306.71 59.7 0.0 0.0 0
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12014 125976 2 N4H17C22 A4B17C22 299.33 2.79 -8.04 -1.57 0
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12015 125977 2 BrOC9H17 ABC9D17 -175.38 2.04 -10.42 -0.81 0